SCHEMBL6619290

SCHEMBL6619290

c1ccc(C(c2ccccc2)N2CCN(CCCCCCOc3ccc4ncnn4n3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.52
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
P2RX7 Q99572 7/20 0.47
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7004707 0.95 ALOX5 (0.53) ALOX5ALDH1A1L3MBTL1P2RX7TDP1
Fumaric Acid SCHEMBL7000167 0.93 ALDH1A1 (0.52) ALOX5ALDH1A1L3MBTL1DRD2DRD3
Fumaric Acid SCHEMBL7000170 0.93 ALDH1A1 (0.52) ALOX5ALDH1A1L3MBTL1DRD2DRD3
SCHEMBL8146601 0.91 ALDH1A1 (0.55) ALOX5ALDH1A1L3MBTL1DRD2DRD3
Hydrochloric Acid SCHEMBL6620924 0.90 ALDH1A1 (0.54) ALOX5ALDH1A1L3MBTL1DRD2DRD3
SCHEMBL6621938 0.82 PARP14 (0.64) DRD2DRD3
SCHEMBL6621536 0.82 P2RX7 (0.45) ALOX5P2RX7DRD2DRD3
Hydrochloric Acid SCHEMBL6617542 0.81 ALOX5 (0.55) ALOX5ALDH1A1L3MBTL1P2RX7
SCHEMBL8157925 0.81 KMT2A (0.60) ALDH1A1L3MBTL1
SCHEMBL6616803 0.81 PARP14 (0.65) DRD2DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979231-B1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-11-24 EP disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0979231-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998049167-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed